2-(4-fluorobut-3-enyl)oxirane

C6H9FO — CID 173259414

IUPAC2-(4-fluorobut-3-enyl)oxirane
SMILESFC=CCCC1CO1
InChIInChI=1S/C6H9FO/c7-4-2-1-3-6-5-8-6/h2,4,6H,1,3,5H2
InChIKeyHBHVQXSRCPNZSE-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.65
Rot. Bonds3

About 2-(4-fluorobut-3-enyl)oxirane

2-(4-fluorobut-3-enyl)oxirane (PubChem CID 173259414) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-(4-fluorobut-3-enyl)oxirane.

Molecular Properties

Compound Name2-(4-fluorobut-3-enyl)oxirane
PubChem CID173259414
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-(4-fluorobut-3-enyl)oxirane
SMILESFC=CCCC1CO1
InChIInChI=1S/C6H9FO/c7-4-2-1-3-6-5-8-6/h2,4,6H,1,3,5H2
InChIKeyHBHVQXSRCPNZSE-UHFFFAOYSA-N
XLogP1.65
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2-Epoxy-5-hexene
CID 66314
(2S)-2-(But-3-en-1-yl)oxirane
CID 6999053
(2R)-2-but-3-enyloxirane
CID 6999054
2-(Pent-4-en-1-yl)oxirane
CID 14264958
2-(1-Fluoroprop-2-enyl)oxirane
CID 87166229
2-(2-Fluorobut-3-enyl)oxirane
CID 88162767
2-Fluoro-3-methyl-2-prop-2-enyloxirane
CID 88840223
2-(1-Fluoroprop-2-enyl)-3-methyloxirane
CID 88840225
2-(3-Fluoroprop-2-enyl)oxirane
CID 173021854
2-(3-Fluoroprop-2-enyl)-3-methyloxirane
CID 173259415
(2S)-2-pent-4-enyloxirane
CID 52951777
5-Fluoro-6-methanidyloxyhex-1-ene;rutherfordium
CID 59971639

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobut-3-enyl)oxirane?
The IUPAC name of 2-(4-fluorobut-3-enyl)oxirane (CID 173259414) is 2-(4-fluorobut-3-enyl)oxirane.
What is the SMILES notation for 2-(4-fluorobut-3-enyl)oxirane?
The canonical SMILES for 2-(4-fluorobut-3-enyl)oxirane is FC=CCCC1CO1.
What is the InChIKey of 2-(4-fluorobut-3-enyl)oxirane?
The InChIKey is HBHVQXSRCPNZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c7-4-2-1-3-6-5-8-6/h2,4,6H,1,3,5H2.
What are the key properties of 2-(4-fluorobut-3-enyl)oxirane?
2-(4-fluorobut-3-enyl)oxirane has a molecular weight of 116.13 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobut-3-enyl)oxirane is sourced from PubChem (CID 173259414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).